Charge: -1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q-1
Electronic States
Energy
(eV)
-461.48811
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Symmetry Elements
S0
Rotational Constants
(cm-1)
0.05036 b
(cm-1)
0.04065 c
(cm-1)
0.02249
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.14723
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.02600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.10123
2
0.00000
0.00000
-0.08551
3
0.09533
0.00000
-0.07262
4
-0.09533
0.00000
-0.07262
5
-0.03311
0.00000
0.00751
6
0.03311
0.00000
0.00751
7
-0.08461
0.00000
0.07653
8
0.08461
0.00000
0.07653
9
0.03162
0.00000
-0.00947
10
-0.03162
0.00000
-0.00947
11
0.00929
0.00000
0.01071
12
-0.00929
0.00000
0.01071
13
0.00812
0.00000
0.00654
14
-0.00812
0.00000
0.00654
15
0.04895
0.00000
-0.16736
16
-0.04895
0.00000
-0.16736
17
0.00650
0.00000
-0.06698
18
-0.00650
0.00000
-0.06698
19
-0.03471
0.00000
-0.01644
20
0.03471
0.00000
-0.01644